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45 similar compounds to monomer 50041161

Compile data set for download or QSAR
Wt: 677.2
BDBM50029568
Wt: 661.2
BDBM50029572
Wt: 663.2
BDBM50029573
Wt: 661.2
BDBM50029574
Wt: 645.2
BDBM50029575
Wt: 661.2
BDBM50029564
Wt: 613.1
BDBM50041156
Wt: 615.2
BDBM50041162
Wt: 599.1
BDBM50041164
Wt: 629.2
BDBM50041165
Wt: 613.1
BDBM50041168
Wt: 637.1
BDBM50041169
Wt: 612.1
BDBM50041172
Wt: 627.1
BDBM50041154
Wt: 611.1
BDBM50045638
Displayed 1 to 15 (of 45 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50029568,50029572,50029573,50029574,50029575,50029564,50041156,50041162,50041164,50041165,50041168,50041169,50041172,50041154,50045638   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50029564
PNG
(CHEMBL341562 | {2-[1-(4-Chloro-benzyl)-4-methyl-6-...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(COc4ccccc4CC(O)=O)c(S1)c23
Show InChI InChI=1S/C39H33ClN2O4S/c1-25-19-32-36(45-23-31-16-13-29(21-41-31)27-7-3-2-4-8-27)18-17-33-38(32)39(47-25)34(42(33)22-26-11-14-30(40)15-12-26)24-46-35-10-6-5-9-28(35)20-37(43)44/h2-18,21,25H,19-20,22-24H2,1H3,(H,43,44)
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n/an/a 26n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Human 5-lipoxygenase


J Med Chem 38: 4538-47 (1995)


Article DOI: 10.1021/jm00022a020
BindingDB Entry DOI: 10.7270/Q2C53JW5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50045638
PNG
(4-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridi...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C36H35ClN2O3S/c1-23-19-29-32(42-22-28-14-11-26(20-38-28)25-7-5-4-6-8-25)16-15-30-33(29)34(43-23)31(17-18-36(2,3)35(40)41)39(30)21-24-9-12-27(37)13-10-24/h4-16,20,23H,17-19,21-22H2,1-3H3,(H,40,41)
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n/an/a 23n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of LTB4 biosynthesis in [Ca2+]-ionophore-activated human polymorphonuclear leukocytes


J Med Chem 36: 2771-87 (1993)


Article DOI: 10.1021/jm00071a008
BindingDB Entry DOI: 10.7270/Q28914XB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50029573
PNG
(2-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridi...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CSc4ccccc4C(O)=O)c(S1)c23
Show InChI InChI=1S/C38H31ClN2O3S2/c1-24-19-31-34(44-22-29-16-13-27(20-40-29)26-7-3-2-4-8-26)18-17-32-36(31)37(46-24)33(41(32)21-25-11-14-28(39)15-12-25)23-45-35-10-6-5-9-30(35)38(42)43/h2-18,20,24H,19,21-23H2,1H3,(H,42,43)
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n/an/a 30n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Human 5-lipoxygenase


J Med Chem 38: 4538-47 (1995)


Article DOI: 10.1021/jm00022a020
BindingDB Entry DOI: 10.7270/Q2C53JW5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50029572
PNG
(2-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridi...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(COCc4ccccc4C(O)=O)c(S1)c23
Show InChI InChI=1S/C39H33ClN2O4S/c1-25-19-33-36(46-23-31-16-13-28(20-41-31)27-7-3-2-4-8-27)18-17-34-37(33)38(47-25)35(42(34)21-26-11-14-30(40)15-12-26)24-45-22-29-9-5-6-10-32(29)39(43)44/h2-18,20,25H,19,21-24H2,1H3,(H,43,44)
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n/an/a 62n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Human 5-lipoxygenase


J Med Chem 38: 4538-47 (1995)


Article DOI: 10.1021/jm00022a020
BindingDB Entry DOI: 10.7270/Q2C53JW5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50029574
PNG
(3-{2-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyr...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCOc4cccc(c4)C(O)=O)c(S1)c23
Show InChI InChI=1S/C39H33ClN2O4S/c1-25-20-33-36(46-24-31-15-12-29(22-41-31)27-6-3-2-4-7-27)17-16-34-37(33)38(47-25)35(42(34)23-26-10-13-30(40)14-11-26)18-19-45-32-9-5-8-28(21-32)39(43)44/h2-17,21-22,25H,18-20,23-24H2,1H3,(H,43,44)
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n/an/a 170n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Human 5-lipoxygenase


J Med Chem 38: 4538-47 (1995)


Article DOI: 10.1021/jm00022a020
BindingDB Entry DOI: 10.7270/Q2C53JW5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50029575
PNG
(2-{2-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyr...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCc4ccccc4C(O)=O)c(S1)c23
Show InChI InChI=1S/C39H33ClN2O3S/c1-25-21-33-36(45-24-31-17-13-29(22-41-31)27-7-3-2-4-8-27)20-19-34-37(33)38(46-25)35(42(34)23-26-11-15-30(40)16-12-26)18-14-28-9-5-6-10-32(28)39(43)44/h2-13,15-17,19-20,22,25H,14,18,21,23-24H2,1H3,(H,43,44)
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n/an/a 360n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Human 5-lipoxygenase


J Med Chem 38: 4538-47 (1995)


Article DOI: 10.1021/jm00022a020
BindingDB Entry DOI: 10.7270/Q2C53JW5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50041156
PNG
(2-{2-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyr...)
Show SMILES CC(OCCc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O
Show InChI InChI=1S/C35H33ClN2O4S/c1-22-18-29-32(42-21-28-13-10-26(19-37-28)25-6-4-3-5-7-25)15-14-30-33(29)34(43-22)31(16-17-41-23(2)35(39)40)38(30)20-24-8-11-27(36)12-9-24/h3-15,19,22-23H,16-18,20-21H2,1-2H3,(H,39,40)
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n/an/a 20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human 5-Lipoxygenase.


J Med Chem 37: 1153-64 (1994)


Article DOI: 10.1021/jm00034a013
BindingDB Entry DOI: 10.7270/Q2PV6JF5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50041154
PNG
(2-{2-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyr...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCOC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C36H35ClN2O4S/c1-23-19-29-32(42-22-28-14-11-26(20-38-28)25-7-5-4-6-8-25)16-15-30-33(29)34(44-23)31(17-18-43-36(2,3)35(40)41)39(30)21-24-9-12-27(37)13-10-24/h4-16,20,23H,17-19,21-22H2,1-3H3,(H,40,41)
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n/an/a 50n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human 5-Lipoxygenase.


J Med Chem 37: 1153-64 (1994)


Article DOI: 10.1021/jm00034a013
BindingDB Entry DOI: 10.7270/Q2PV6JF5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50041162
PNG
(3-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridi...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CSCCC(O)=O)c(S1)c23
Show InChI InChI=1S/C34H31ClN2O3S2/c1-22-17-28-31(40-20-27-12-9-25(18-36-27)24-5-3-2-4-6-24)14-13-29-33(28)34(42-22)30(21-41-16-15-32(38)39)37(29)19-23-7-10-26(35)11-8-23/h2-14,18,22H,15-17,19-21H2,1H3,(H,38,39)
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n/an/a 55n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human 5-Lipoxygenase.


J Med Chem 37: 1153-64 (1994)


Article DOI: 10.1021/jm00034a013
BindingDB Entry DOI: 10.7270/Q2PV6JF5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50041164
PNG
(3-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridi...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(COCCC(O)=O)c(S1)c23
Show InChI InChI=1S/C34H31ClN2O4S/c1-22-17-28-31(41-20-27-12-9-25(18-36-27)24-5-3-2-4-6-24)14-13-29-33(28)34(42-22)30(21-40-16-15-32(38)39)37(29)19-23-7-10-26(35)11-8-23/h2-14,18,22H,15-17,19-21H2,1H3,(H,38,39)
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n/an/a 250n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human 5-Lipoxygenase.


J Med Chem 37: 1153-64 (1994)


Article DOI: 10.1021/jm00034a013
BindingDB Entry DOI: 10.7270/Q2PV6JF5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50041165
PNG
(3-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridi...)
Show SMILES CC(CC(O)=O)SCc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23
Show InChI InChI=1S/C35H33ClN2O3S2/c1-22(17-33(39)40)42-21-31-35-34-29(16-23(2)43-35)32(15-14-30(34)38(31)19-24-8-11-27(36)12-9-24)41-20-28-13-10-26(18-37-28)25-6-4-3-5-7-25/h3-15,18,22-23H,16-17,19-21H2,1-2H3,(H,39,40)
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n/an/a 70n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human 5-Lipoxygenase.


J Med Chem 37: 1153-64 (1994)


Article DOI: 10.1021/jm00034a013
BindingDB Entry DOI: 10.7270/Q2PV6JF5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50041168
PNG
(3-{2-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyr...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCOCCC(O)=O)c(S1)c23
Show InChI InChI=1S/C35H33ClN2O4S/c1-23-19-29-32(42-22-28-12-9-26(20-37-28)25-5-3-2-4-6-25)14-13-30-34(29)35(43-23)31(15-17-41-18-16-33(39)40)38(30)21-24-7-10-27(36)11-8-24/h2-14,20,23H,15-19,21-22H2,1H3,(H,39,40)
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n/an/a 105n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human 5-Lipoxygenase.


J Med Chem 37: 1153-64 (1994)


Article DOI: 10.1021/jm00034a013
BindingDB Entry DOI: 10.7270/Q2PV6JF5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50041169
PNG
(1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridin-2...)
Show SMILES CC(OCCc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)c1nnn[nH]1
Show InChI InChI=1S/C35H33ClN6O2S/c1-22-18-29-32(44-21-28-13-10-26(19-37-28)25-6-4-3-5-7-25)15-14-30-33(29)34(45-22)31(16-17-43-23(2)35-38-40-41-39-35)42(30)20-24-8-11-27(36)12-9-24/h3-15,19,22-23H,16-18,20-21H2,1-2H3,(H,38,39,40,41)
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n/an/a 60n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Tested against 5-lipoxygenase


J Med Chem 37: 1153-64 (1994)


Article DOI: 10.1021/jm00034a013
BindingDB Entry DOI: 10.7270/Q2PV6JF5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50041172
PNG
(2-{2-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyr...)
Show SMILES CC(NCCc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O
Show InChI InChI=1S/C35H34ClN3O3S/c1-22-18-29-32(42-21-28-13-10-26(19-38-28)25-6-4-3-5-7-25)15-14-30-33(29)34(43-22)31(16-17-37-23(2)35(40)41)39(30)20-24-8-11-27(36)12-9-24/h3-15,19,22-23,37H,16-18,20-21H2,1-2H3,(H,40,41)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human 5-Lipoxygenase.


J Med Chem 37: 1153-64 (1994)


Article DOI: 10.1021/jm00034a013
BindingDB Entry DOI: 10.7270/Q2PV6JF5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50045638
PNG
(4-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridi...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C36H35ClN2O3S/c1-23-19-29-32(42-22-28-14-11-26(20-38-28)25-7-5-4-6-8-25)16-15-30-33(29)34(43-23)31(17-18-36(2,3)35(40)41)39(30)21-24-9-12-27(37)13-10-24/h4-16,20,23H,17-19,21-22H2,1-3H3,(H,40,41)
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n/an/a 330n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN leukocytes


J Med Chem 36: 2771-87 (1993)


Article DOI: 10.1021/jm00071a008
BindingDB Entry DOI: 10.7270/Q28914XB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50029568
PNG
(2-{2-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyr...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCSc4ccccc4C(O)=O)c(S1)c23
Show InChI InChI=1S/C39H33ClN2O3S2/c1-25-21-32-35(45-24-30-16-13-28(22-41-30)27-7-3-2-4-8-27)18-17-33-37(32)38(47-25)34(42(33)23-26-11-14-29(40)15-12-26)19-20-46-36-10-6-5-9-31(36)39(43)44/h2-18,22,25H,19-21,23-24H2,1H3,(H,43,44)
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n/an/a 30n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Human 5-lipoxygenase


J Med Chem 38: 4538-47 (1995)


Article DOI: 10.1021/jm00022a020
BindingDB Entry DOI: 10.7270/Q2C53JW5
More data for this
Ligand-Target Pair